Methyl (1S,4E,5S,6R,6aS,11aR)-4-ethylidene-1,2,3,4,5,6-hexahydro-6-(hydroxymethyl)-11a,6a-(epoxyethano)-1,5-methano-11H-azocino[3,4-b]indole-6-carboxylate

CAS Registry Number®

2744-47-0

CAS Name

Methyl (1S,4E,5S,6R,6aS,11aR)-4-ethylidene-1,2,3,4,5,6-hexahydro-6-(hydroxymethyl)-11a,6a-(epoxyethano)-1,5-methano-11H-azocino[3,4-b]indole-6-carboxylate

Molecular Formula

C21H26N2O4

Molecular Mass

370.44

Cite this Page

Methyl (1S,4E,5S,6R,6aS,11aR)-4-ethylidene-1,2,3,4,5,6-hexahydro-6-(hydroxymethyl)-11a,6a-(epoxyethano)-1,5-methano-11H-azocino[3,4-b]indole-6-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2744-47-0 (retrieved 2024-11-08) (CAS RN: 2744-47-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    207-209 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H26N2O4/c1-3-13-11-22-17-10-15(13)19(12-24,18(25)26-2)20-8-9-27-21(17,20)23-16-7-5-4-6-14(16)20/h3-7,15,17,22-24H,8-12H2,1-2H3

InChIKey

InChIKey=OQJSSGHGITUGKL-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1(CO)C23C(C4CC1C(=CC)CN4)(NC=5C2=CC=CC5)OCC3

Canonical SMILES

O=C(OC)C1(CO)C2C(=CC)CNC(C2)C34OCCC41C=5C=CC=CC5N3

Other Names for this Substance

  • 11a,6a-(Epoxyethano)-1,5-methano-11H-azocino[3,4-b]indole-6-carboxylic acid, 4-ethylidene-1,2,3,4,5,6-hexahydro-6-(hydroxymethyl)-, methyl ester, (1S,4E,5S,6R,6aS,11aR)-
  • Aspidodasycarpine
  • 4,5-Secoakuammilan-17-oic acid, 2,5-epoxy-1,2-dihydro-16-(hydroxymethyl)-, methyl ester, (2α)-
  • Methyl (1S,4E,5S,6R,6aS,11aR)-4-ethylidene-1,2,3,4,5,6-hexahydro-6-(hydroxymethyl)-11a,6a-(epoxyethano)-1,5-methano-11H-azocino[3,4-b]indole-6-carboxylate
  • 11a,6a-(Epoxyethano)-1,5-methano-11H-azocino[3,4-b]indole-6-carboxylic acid, 4-ethylidene-1,2,3,4,5,6-hexahydro-6-(hydroxymethyl)-, methyl ester, [1S-(1α,4E,5α,6β,6aβ,11aβ)]-

CAS INSIGHTSTM
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